Klaus-Robert Müller

Explaining Bayesian Neural Networks pdf

Frederick Klauschen, Marius Kloft, Kirill Bykov, 2021, ArXiv.

Towards CRISP-ML(Q): A Machine Learning Process Model with Quality Assurance Methodology

Christian Drescher, Alexander Hanuschkin, Thanh Binh Bui, 2021, Mach. Learn. Knowl. Extr..

High-fidelity molecular dynamics trajectory reconstruction with bi-directional neural networks pdf

Huziel E. Sauceda, Klaus-Robert Müller, Ludwig Winkler, 2022, Mach. Learn. Sci. Technol..

Machine learning of solvent effects on molecular spectra and reactions

Michael Gastegger, Kristof T. Schütt, Kristof T Schütt, 2020, Chemical Science.

Finding and removing Clever Hans: Using explanation methods to debug and improve deep models

Wojciech Samek, Sebastian Lapuschkin, David Neumann, 2019, Inf. Fusion.

Toward Explainable AI for Regression Models pdf

Wojciech Samek, Grégoire Montavon, Jonas Lederer, 2021, ArXiv.

Automated Dissipation Control for Turbulence Simulation with Shell Models pdf

Ann-Kathrin Dombrowski, Wolf-Christian Müller, Klaus-Robert Müller, 2022, ArXiv.

Inverse design of 3d molecular structures with conditional generative neural networks pdf

Michael Gastegger, Kristof T. Schütt, Niklas W. A. Gebauer, 2021, Nature Communications.